3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide

C22H25N3O3 — CID 42926832

IUPAC3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
SMILESCC(C)C(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O3/c1-14(2)22(15-7-8-18-19(13-15)28-12-11-27-18)25-21(26)10-9-20-23-16-5-3-4-6-17(16)24-20/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyIKVFKCDFUHYOPV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.78
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide (PubChem CID 42926832) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
PubChem CID42926832
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
SMILESCC(C)C(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O3/c1-14(2)22(15-7-8-18-19(13-15)28-12-11-27-18)25-21(26)10-9-20-23-16-5-3-4-6-17(16)24-20/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyIKVFKCDFUHYOPV-UHFFFAOYSA-N
XLogP3.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 46971029
4-(1,3-benzothiazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]butanamide
CID 55387588
3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 130245296
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 26193141
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 26193142
4-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]butanamide
CID 9114504
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybutanamide
CID 94232170
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-phenoxybutanamide
CID 134052781
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 71827898
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 30902394
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 9258039

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide (CID 42926832) is 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide is CC(C)C(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide?
The InChIKey is IKVFKCDFUHYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)22(15-7-8-18-19(13-15)28-12-11-27-18)25-21(26)10-9-20-23-16-5-3-4-6-17(16)24-20/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 42926832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).